Psi4: An Open-Source Ab Initio Quantum Chemistry Program

Joined May 2012
Had a great first day of PsiCon21 at UGA!
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On Wednesday afternoon at #ACSFall2021, Ryan Fortenberry will be talking about our Psi4Education program. It’s a hybrid session so you can join in-person or virtually!
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Merry Christmas (or celebrated holiday) season from the pets (and developers) of Psi4.
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Shiny new stickers and no #ACSPhilly to go to. Stay well and code, everyone.
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PsiCon group photo
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PsiCon2019 attendees enjoying the wonderful Emory conference room in Atwood. GT, take note — chairs that hold, rather than eject, their occupants and are silent, rather then squawking to rival the speaker. Looking forward to PsiCon2020 at CCQC at UGA!
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Rollin King reporting on Optking. Challenging optimization — can do. Figuring out who calls who to satisfy all use cases in a distributed ecosystem with multiple entry points — WIP.
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Two approaches to improving dispersion in SAPT. -D for speed by Dom Sirianni with David Sherrill. F12 for accuracy by Monika Kodrycka with Konrad Patkowski.
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Wallace Derricotte explains interfacing psi4 and others with pyREX for reaction post-processing.
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⁦@ARingerMcDonald⁩ presents connections to expand access to Psi4 beyond the development community at PsiCon2019.
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